2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

C23H17ClFN3S — CID 59579249

IUPAC2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCc1cccc(C)c1Nc1c(-c2ccc(F)cc2Cl)nc2sc3ccccc3n12
InChIInChI=1S/C23H17ClFN3S/c1-13-6-5-7-14(2)20(13)26-22-21(16-11-10-15(25)12-17(16)24)27-23-28(22)18-8-3-4-9-19(18)29-23/h3-12,26H,1-2H3
InChIKeyHLXGDXIZTMNTQI-UHFFFAOYSA-N
MW421.93 g/mol
LogP7.37
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 59579249) has the molecular formula C23H17ClFN3S and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID59579249
Molecular FormulaC23H17ClFN3S
Molecular Weight421.93 g/mol
Exact Mass421.08
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCc1cccc(C)c1Nc1c(-c2ccc(F)cc2Cl)nc2sc3ccccc3n12
InChIInChI=1S/C23H17ClFN3S/c1-13-6-5-7-14(2)20(13)26-22-21(16-11-10-15(25)12-17(16)24)27-23-28(22)18-8-3-4-9-19(18)29-23/h3-12,26H,1-2H3
InChIKeyHLXGDXIZTMNTQI-UHFFFAOYSA-N
XLogP7.37
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 59579249) is 2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is Cc1cccc(C)c1Nc1c(-c2ccc(F)cc2Cl)nc2sc3ccccc3n12.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is HLXGDXIZTMNTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3S/c1-13-6-5-7-14(2)20(13)26-22-21(16-11-10-15(25)12-17(16)24)27-23-28(22)18-8-3-4-9-19(18)29-23/h3-12,26H,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 421.93 g/mol, XLogP of 7.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 59579249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).